AG001W4X

165393-06-6 | 6H-Dibenzo[b,d]pyran-6-one, 3,8,9-trihydroxy-

AG001W4X

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CAS Number	165393-06-6
Catalog Number	AG001W4X(AGN-PC-0DB8Y7)
Chemical Name	6H-Dibenzo[b,d]pyran-6-one, 3,8,9-trihydroxy-
IUPAC Name	3,8,9-trihydroxybenzo[c]chromen-6-one
InChI	InChI=1S/C13H8O5/c14-6-1-2-7-8-4-10(15)11(16)5-9(8)13(17)18-12(7)3-6/h1-5,14-16H
InChI Key	HHXMEXZVPJFAIJ-UHFFFAOYSA-N
MDL Number	MFCD20275232
Molecular Formula	C13H8O5
Molecular Weight	244.1996
SMILES	O=C1C2=CC(O)=C(O)C=C2C3=CC=C(O)C=C3O1
Synonyms	urolithin C, Urolithin C, 3,8,9-Trihydroxy-6H-benzo[c]chromen-6-one, 165393-06-6, Urolithin-C, 3,8,9-trihydroxy-urolithin, SCHEMBL15423100, HHXMEXZVPJFAIJ-UHFFFAOYSA-N, KS-00000U7V, MFCD20275232, ZINC95617867, AKOS030633041, AK676661, DS-20037, 3,8,9-TRIHYDROXYBENZO[C]CHROMEN-6-ONE, 6H-Dibenzo[b,d]pyran-6-one, 3,8,9-trihydroxy-,

Complexity	344
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.037g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	244.202g/mol
Monoisotopic Mass	244.037g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	87A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number